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        "author": "Simon J.L. Billinge group",
        "author_email": "sb2896@columbia.edu",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 5 - Production/Stable",
            "Environment :: Console",
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: BSD License",
            "Operating System :: MacOS :: MacOS X",
            "Operating System :: Microsoft :: Windows",
            "Operating System :: POSIX",
            "Operating System :: Unix",
            "Programming Language :: Python :: 2.7",
            "Programming Language :: Python :: 3.5",
            "Programming Language :: Python :: 3.6",
            "Programming Language :: Python :: 3.7",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Scientific/Engineering :: Physics"
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        "description": ".. image:: https://travis-ci.org/diffpy/diffpy.structure.svg?branch=master\n   :target: https://travis-ci.org/diffpy/diffpy.structure\n\n.. image:: https://codecov.io/gh/diffpy/diffpy.structure/branch/master/graph/badge.svg\n   :target: https://codecov.io/gh/diffpy/diffpy.structure\n\n\ndiffpy.structure\n========================================================================\n\nstorage and manipulation of crystal structure data\n\nThe diffpy.structure package provides objects for storing atomic\ncoordinates, displacement parameters and other crystal structure data.\ndiffpy.structure supports import and export of structure data in several\nstructure formats such as CIF, PDB, and xyz.  It provides conversion\nbetween fractional and absolute Cartesian coordinates, functions for\nsymmetry expansion of atom sites in the asymmetric unit and generation\nof symmetry constraints for atom positions and displacement parameters.\ndiffpy.structure includes definitions of all space groups in over 500\nsymmetry settings.\n\nTo learn more about diffpy.structure library see the\nuser manual at http://diffpy.github.io/diffpy.structure.\n\n\nREQUIREMENTS\n------------------------------------------------------------------------\n\nThe diffpy.structure package requires Python 3.5 or later or 2.7 and\nthe following software:\n\n* ``setuptools`` - software distribution tools for Python\n* ``NumPy`` - numerical mathematics and fast array operations for Python\n\nWe recommend to use `Anaconda Python <https://www.anaconda.com/download>`_\nas it allows to install all software dependencies together with\ndiffpy.structure.  For other Python distributions it is necessary to\ninstall the required software separately.  As an example on Ubuntu\nLinux the required software can be installed with ::\n\n   sudo aptitude install python3-setuptools python3-numpy\n\ndiffpy.structure also uses the\n`PyCifRW <https://bitbucket.org/jamesrhester/pycifrw>`_\nlibrary, which is automatically deployed during the\ninstallation process.\n\n\nINSTALLATION\n------------------------------------------------------------------------\n\nThe preferred method is to use Anaconda Python and install from the\n\"diffpy\" channel of Anaconda packages ::\n\n   conda config --add channels diffpy\n   conda install diffpy.structure\n\ndiffpy.structure is also included in the \"diffpy-cmi\" collection\nof packages for structure analysis ::\n\n   conda install diffpy-cmi\n\nAnother installation option is to use ``easy_install`` to download and\ninstall the latest release from\n`Python Package Index <https://pypi.python.org>`_ ::\n\n   easy_install diffpy.structure\n\nIf you prefer to install from sources, navigate to the source archive\ndirectory and run ::\n\n   python setup.py install\n\nYou may need to use ``sudo`` with system Python so it is allowed to\ncopy files to system directories.  If sudo is not available, check\nthe usage info from ``python setup.py install --help`` for options to\ninstall to user-writable locations.  The installation integrity can be\nverified by changing to the HOME directory and running ::\n\n   python -m diffpy.structure.tests.run\n\n\nDEVELOPMENT\n------------------------------------------------------------------------\n\ndiffpy.structure is an open-source software developed as a part of the\nDiffPy-CMI complex modeling initiative at the Brookhaven National\nLaboratory.  The diffpy.structure sources are hosted at\nhttps://github.com/diffpy/diffpy.structure.\n\nFeel free to fork the project and contribute.  To install diffpy.structure\nin a development mode, where the sources are directly used by Python\nrather than copied to a system directory, use ::\n\n   python setup.py develop --user\n\n\nACKNOWLEDGEMENT\n------------------------------------------------------------------------\n\nSpace group codes in *spacegroupmod.py* and *mmlibspacegroups.py*\noriginate from the pymmlib project, http://pymmlib.sourceforge.net.\n\n\nCONTACTS\n------------------------------------------------------------------------\n\nFor more information on diffpy.structure please visit the project web-page\n\nhttp://www.diffpy.org/\n\nor email Prof. Simon Billinge at sb2896@columbia.edu.",
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        "license": "BSD-style license",
        "maintainer": "Pavol Juhas",
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